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CHEBI:172129 - Momordicin II

ChEBI IDCHEBI:172129
ChEBI NameMomordicin II
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H58O9
Net Charge0
Average Mass634.851
Monoisotopic Mass634.40808
SMILESCC(C)=CC(CC(C)C1CCC2(C)C3C(O)C=C4C(CCC(O)C4(C)C)C3(C=O)CCC12C)OC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C36H58O9/c1-19(2)14-21(44-32-30(43)29(42)28(41)26(17-37)45-32)15-20(3)22-10-11-35(7)31-25(39)16-24-23(8-9-27(40)33(24,4)5)36(31,18-38)13-12-34(22,35)6/h14,16,18,20-23,25-32,37,39-43H,8-13,15,17H2,1-7H3
InChIKeyWCYLDCDQWJYEPO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
Roles Classification
Biological Role:
allelochemical  A class of secondary metabolites developed by many plants to influence the behaviour, growth or survival of herbivores, and thus acting as a defence against herbivory.
ChEBI Ontology
Outgoing Relation(s)
Momordicin II (CHEBI:172129) is a cucurbitacin (CHEBI:16219)
Momordicin II (CHEBI:172129) is a glycoside (CHEBI:24400)
IUPAC Name 
3,7-dihydroxy-4,4,13,14-tetramethyl-17-[6-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-9-carbaldehyde
Manual XrefsDatabases
HMDB0035966HMDB